Molecule

ID:15017

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁Cl₂N₃
Molecular Mass
196.07764
Exact Mass
195.03300273
Charge
0
InChI
InChI=1S/C6H9N3.2ClH/c7-9-5-6-1-3-8-4-2-6;;/h1-4,9H,5,7H2;2*1H
InChIKey
OYPSNYWOQNBMLK-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccncc1.Cl.Cl
Isomeric Smiles
C(NN)c1ccncc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.4783251
LogD (pH = 7.4)
-0.30600125
Log P
-0.30331358
Molar Refractivity
47.3514
Polarizability
14.121351
Polar Surface Area
50.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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